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. 2018 Oct 19;74(Pt 11):1628–1632. doi: 10.1107/S2056989018014627
x y z Uiso*/Ueq
Br2 0.19136 (4) −0.4176 (2) 0.67484 (4) 0.0714 (3)
Br1 0.12607 (5) 1.1323 (3) 0.25304 (4) 0.0787 (3)
O3 0.5159 (3) 0.2810 (14) 0.5457 (2) 0.0689 (16)
F1 −0.0194 (2) 0.9500 (15) 0.3236 (2) 0.107 (2)
N1 0.2772 (3) 0.3510 (15) 0.4968 (3) 0.0503 (14)
N3 0.5145 (3) 0.0903 (18) 0.5895 (3) 0.0566 (15)
N2 0.3538 (3) 0.2591 (14) 0.5232 (3) 0.0564 (18)
H2 0.398154 0.325205 0.507843 0.068*
O2 0.5792 (3) −0.0104 (14) 0.6187 (2) 0.0800 (19)
O1 0.1152 (3) 0.4263 (18) 0.4954 (3) 0.0892 (19)
H1 0.161084 0.357911 0.508414 0.134*
C8 0.3593 (4) 0.0605 (18) 0.5745 (3) 0.0470 (18)
C1 0.1976 (4) 0.8061 (17) 0.3618 (3) 0.0496 (19)
H1A 0.248599 0.848552 0.346371 0.060*
C13 0.4351 (4) −0.0228 (17) 0.6077 (3) 0.050 (2)
C7 0.2755 (4) 0.5174 (18) 0.4473 (3) 0.050 (2)
H7 0.324917 0.564799 0.430059 0.060*
C11 0.3659 (4) −0.3285 (19) 0.6826 (3) 0.062 (2)
H11 0.367763 −0.454009 0.718527 0.074*
C12 0.4369 (4) −0.2110 (18) 0.6608 (3) 0.053 (2)
H12 0.487920 −0.259040 0.682367 0.064*
C6 0.1965 (4) 0.636 (2) 0.4169 (3) 0.0542 (19)
C9 0.2876 (4) −0.0681 (18) 0.5974 (3) 0.0497 (18)
H9 0.236095 −0.024328 0.576206 0.060*
C10 0.2909 (4) −0.2535 (18) 0.6492 (3) 0.055 (2)
C2 0.1272 (4) 0.913 (2) 0.3293 (3) 0.0569 (19)
C5 0.1212 (4) 0.584 (2) 0.4414 (3) 0.067 (2)
C4 0.0481 (4) 0.692 (2) 0.4105 (4) 0.078 (3)
H4 −0.002785 0.660131 0.426706 0.093*
C3 0.0533 (4) 0.849 (2) 0.3552 (3) 0.067 (2)